Basic information
- Standard SMILES
COC(=O)CC1CCN(CCOCCN2c3ccccc3CCc3ccccc32)C1- InChIKey
GUUZKGTZIQDLQO-UHFFFAOYSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- N-(2-(2-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethoxy)ethyl)-3-pyrrolidineacetic acid methyl ester
- IUPAC
- methyl 2-[1-[2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]ethyl]pyrrolidin-3-yl]acetate
Names & synonyms
SCHEMBL8859018GUUZKGTZIQDLQO-UHFFFAOYSA-NN-(2-(2 -(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethoxy)ethyl)-3-pyrrolidineacetic acid methyl ester
Database identifiers
- PubChem CID
- 67710487
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 518
Related reactions
3 records
Compound notes
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